Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.41 |
| ▸ | FCER2 | P06734 | 1/20 | 0.41 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 2/20 | 0.36 |
| ▸ | AGXT | P21549 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6940252 | 1.00 | TAS1R3 (0.43) | TAS1R3TAS1R1PIN1PSMB5FCER2 | |
| SCHEMBL4969559 | 0.83 | PIN1 (0.47) | TAS1R3TAS1R1PIN1PSMB5FCER2 | |
| SCHEMBL6940090 | 0.79 | ACE (0.47) | — | |
| SCHEMBL27471453 | 0.79 | ACE (0.47) | — | |
| SCHEMBL2078468 | 0.76 | PSMB5 (0.47) | TAS1R3TAS1R1PIN1PSMB5FCER2 | |
| SCHEMBL2078469 | 0.76 | PSMB5 (0.47) | TAS1R3TAS1R1PIN1PSMB5FCER2 | |
| SCHEMBL7957368 | 0.75 | MME (0.47) | — | |
| SCHEMBL7837561 | 0.75 | MME (0.47) | — | |
| SCHEMBL8579944 | 0.74 | PIN1 (0.60) | PIN1PSMB5FCER2PSMB8 | |
| SCHEMBL2628545 | 0.74 | PIN1 (0.60) | PIN1PSMB5FCER2PSMB8 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0993442-B1 | HYDRAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2003-04-23 | — | — | EP | disclosed |
| US-6235787-B1 | ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS | HOFFMANN-LA ROCHE INC. | 2001-05-22 | — | — | US | disclosed |
| EP-0993442-A1 | HYDRAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-04-19 | — | — | EP | disclosed |
| WO-1999001428-A1 | HYDRAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-01-14 | — | — | WO | disclosed |